2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propyl-pyrazol-3-yl)methyl]ethanamine

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propyl-pyrazol-3-yl)methyl]ethanamine Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propyl-pyrazol-3-yl)methyl]ethanamine CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-[(1-phenyl-5-propyl-3-pyrazolyl)methyl]ethanamine IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]ethyl-[(1-phenyl-5-propyl-pyrazol-3-yl)methyl]amine Formula: C27H37N5 MolecularWeight: 431.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1C2=CC=CC=C2)CNCCN3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCCC1=CC(=NN1C2=CC=CC=C2)CNCCN3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C27H37N5/c1-4-9-26-20-24(29-32(26)25-11-6-5-7-12-25)21-28-14-15-30-16-18-31(19-17-30)27-13-8-10-22(2)23(27)3/h5-8,10-13,20,28H,4,9,14-19,21H2,1-3H3